Benzenesulfonic acid, m-chloro-phenyl ester
TL;DR: Benzenesulfonic acid, m-chloro-phenyl ester (CAS 13659-18-2) is a chemical compound with molecular formula C12H9ClO3S and molecular weight 268.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenyl 3-chlorobenzenesulfonate
Also Known As: phenyl 3-chlorobenzenesulfonate, Benzenesulfonic acid, m-chloro-phenyl ester, Phenyl 3-chlorobenzene-1-sulfonate, Benzenesulfonic acid,3-chlorophenyl ester, 1-CHLORO-3-PHENOXYSULFONYL-BENZENE
| Molecular Formula | C12H9ClO3S |
|---|---|
| Molecular Weight | 268.00 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 267.9961 |
| Heavy Atoms | 17 |
| Complexity | 330.0 |
Chemical Identifiers
| CAS Number | 13659-18-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)OS(=O)(=O)C2=CC(=CC=C2)Cl |
| InChIKey | GVCQCUCEMLXYFA-UHFFFAOYSA-N |
Product Overview
Benzenesulfonic acid, m-chloro-phenyl ester (CAS 13659-18-2), with molecular formula C12H9ClO3S and molecular weight 268.00 g/mol. IUPAC: phenyl 3-chlorobenzenesulfonate.
Chemical Property Profile of Benzenesulfonic acid, m-chloro-phenyl ester
Property Insights of Benzenesulfonic acid, m-chloro-phenyl ester
The XLogP value of 3.7 indicates that Benzenesulfonic acid, m-chloro-phenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.8 Ų, Benzenesulfonic acid, m-chloro-phenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenesulfonic acid, m-chloro-phenyl ester has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzenesulfonic acid, m-chloro-phenyl ester?
The CAS number of Benzenesulfonic acid, m-chloro-phenyl ester is 13659-18-2.
What is the molecular formula of Benzenesulfonic acid, m-chloro-phenyl ester?
The molecular formula of Benzenesulfonic acid, m-chloro-phenyl ester is C12H9ClO3S.
What is the molecular weight of Benzenesulfonic acid, m-chloro-phenyl ester?
The molecular weight of Benzenesulfonic acid, m-chloro-phenyl ester is 268.00 g/mol.
Where can I buy Benzenesulfonic acid, m-chloro-phenyl ester?
You can request a quote for Benzenesulfonic acid, m-chloro-phenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenesulfonic acid, m-chloro-phenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzenesulfonic acid, m-chloro-phenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.